N-[6-methoxy-2-oxo-4-(1-phenyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinolin-7-yl]acetamide

• ChemBase ID: 356952
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: c1(n(ncc1)c1ccccc1)C1c2c(NC(=O)C1)cc(NC(=O)C)c(c2)OC
• Canonical SMILES: COc1cc2c(cc1NC(=O)C)NC(=O)CC2c1ccnn1c1ccccc1
• InChI: InChI=1S/C21H20N4O3/c1-13(26)23-18-12-17-15(10-20(18)28-2)16(11-21(27)24-17)19-8-9-22-25(19)14-6-4-3-5-7-14/h3-10,12,16H,11H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: ABRJGROMQHCRNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-methoxy-2-oxo-4-(1-phenyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinolin-7-yl]acetamide
• IUPAC Traditional name: N-[6-methoxy-2-oxo-4-(2-phenylpyrazol-3-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
• Synonyms: N-[6-methoxy-2-oxo-4-(1-phenyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinolin-7-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.415605
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9453034
• LogD (pH = 7.4): 1.9453424
• Log P: 1.945347
• Molar Refractivity: 108.4719 cm^3
• Polarizability: 40.383156 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.46
• LOG S: -3.19
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 4